3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

C10H14BrF3N2O2 — CID 64995013

IUPAC3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC(C)(CBr)CN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C10H14BrF3N2O2/c1-8(2,4-11)5-16-6(17)9(3,10(12,13)14)15-7(16)18/h4-5H2,1-3H3,(H,15,18)
InChIKeyMANHYMOVDCJCMN-UHFFFAOYSA-N
MW331.13 g/mol
LogP2.28
Rot. Bonds3

About 3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 64995013) has the molecular formula C10H14BrF3N2O2 and a molecular weight of 331.13 g/mol. Its IUPAC name is 3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID64995013
Molecular FormulaC10H14BrF3N2O2
Molecular Weight331.13 g/mol
Exact Mass330.02
IUPAC Name3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC(C)(CBr)CN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C10H14BrF3N2O2/c1-8(2,4-11)5-16-6(17)9(3,10(12,13)14)15-7(16)18/h4-5H2,1-3H3,(H,15,18)
InChIKeyMANHYMOVDCJCMN-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 64995013) is 3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CC(C)(CBr)CN1C(=O)NC(C)(C(F)(F)F)C1=O.
What is the InChIKey of 3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is MANHYMOVDCJCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF3N2O2/c1-8(2,4-11)5-16-6(17)9(3,10(12,13)14)15-7(16)18/h4-5H2,1-3H3,(H,15,18).
What are the key properties of 3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 331.13 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 64995013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).